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18630-94-9 | 4-methyl-4H-isoquinoline-1,3-dione
CAS No: 18630-94-9 Catalog No: AG01C0HL MDL No:MFCD09865157
Product Description
Catalog Number:
AG01C0HL
Chemical Name:
4-methyl-4H-isoquinoline-1,3-dione
CAS Number:
18630-94-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD09865157
IUPAC Name:
4-methyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)10(13)11-9(6)12/h2-6H,1H3,(H,11,12,13)
InChI Key:
BGDGIJFKHZEBGN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C1C)cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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